SCHEMBL16198822

SCHEMBL16198822

CCCOc1ccc(N/C(=N/CC)N2CCCCC2)cc1-c1nc(CC)c(CC)c(=O)[nH]1

nearest known ligand 0.78

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 20/20 0.78
PDE6C P51160 2/20 0.64
PDE11A Q9HCR9 2/20 0.64
PDE1A P54750 1/20 0.64
PDE1B Q01064 1/20 0.64
PDE1C Q14123 1/20 0.64

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16198824 0.99 PDE5A (0.79) PDE5APDE6CPDE11APDE1APDE1B
SCHEMBL2569782 0.88 PDE5A (0.98) PDE5APDE6CPDE11APDE1APDE1B
SCHEMBL16198825 0.88 PDE5A (1.00) PDE5APDE6CPDE11APDE1APDE1B
SCHEMBL2569017 0.84 PDE5A (1.00) PDE5APDE6CPDE11APDE1APDE1B
SCHEMBL16198818 0.83 PDE5A (0.64) PDE5APDE6C
SCHEMBL2566307 0.83 PDE5A (0.73) PDE5APDE6CPDE11APDE1APDE1B
SCHEMBL16198821 0.83 PDE5A (0.73) PDE5APDE6CPDE11APDE1APDE1B
SCHEMBL16198820 0.83 PDE5A (0.65) PDE5APDE6C
SCHEMBL16198823 0.82 PDE5A (0.70) PDE5APDE6CPDE11APDE1APDE1B
SCHEMBL2564817 0.81 PDE5A (0.87) PDE5APDE6CPDE11APDE1APDE1B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8871777-B2 Phenylpyrimidone compounds, the pharmaceutical compositions, preparation methods and uses thereof TOPHARMAN SHANGHAI CO., LTD. (CN) 2014-10-28 US disclosed
US-8871777-B2 Phenylpyrimidone compounds, the pharmaceutical compositions, preparation methods and uses thereof TOPHARMAN SHANGHAI CO., LTD. (CN) 2014-10-28 US disclosed